Skip to content

Commit 677ca84

Browse files
committed
make compatible with general tricilinc pull request
1 parent 89c737d commit 677ca84

File tree

2 files changed

+16
-16
lines changed

2 files changed

+16
-16
lines changed

tests/examples/voronoi/in.voronoi.2d

Lines changed: 15 additions & 15 deletions
Original file line numberDiff line numberDiff line change
@@ -7,46 +7,46 @@ variable len equal 4.0
77
variable lenz equal 10.0
88

99
dimension 2
10-
units metal
11-
boundary p p p
10+
units metal
11+
boundary p p p
1212

1313
#lattice sq 1.0 origin 0.5 0.5 0.0
1414
lattice hex 1.0 origin 0.5 0.5 0.0
1515

16-
atom_style atomic
16+
atom_style atomic
1717

18-
region box block 0 ${len} 0 ${len} 0.0 ${lenz}
18+
region box block 0 ${len} 0 ${len} -5 5
1919
region atoms block 0 ${len} 0 ${len} 0.0 0.0
2020
create_box 1 box
2121
create_atoms 1 region atoms
2222

23-
mass 1 1.0
23+
mass 1 1.0
2424

2525
pair_style lj/cut ${rcut}
2626
pair_coeff 1 1 0.0 1.0
2727

28-
neighbor ${rskin} nsq
28+
neighbor ${rskin} nsq
2929

3030
# set the minimum communication cut-off
3131
comm_modify cutoff ${rcomm}
3232

33-
compute v1 all voronoi/atom neighbors yes
34-
compute volvor all reduce sum c_v1[1]
35-
variable volsys equal lz*lx*ly
36-
variable err equal c_volvor-v_volsys
37-
thermo_style custom step c_volvor v_volsys vol v_err
38-
thermo 1
33+
compute v1 all voronoi/atom neighbors yes
34+
compute volvor all reduce sum c_v1[1]
35+
variable volsys equal lz*lx*ly
36+
variable err equal c_volvor-v_volsys
37+
thermo_style custom step c_volvor v_volsys vol v_err
38+
thermo 1
3939

4040
#
4141
# TEST 1: Volume check for 2d bulk system
4242
#
4343

44-
run 0
44+
run 0
4545

4646
#
4747
# TEST 2: Volume check for 2d finite system
4848
# add margins in x and y directions
4949
#
5050

51-
change_box all boundary f f p
52-
run 0
51+
change_box all boundary f f p
52+
run 0

tests/examples/voronoi/in.voronoi.data

Lines changed: 1 addition & 1 deletion
Original file line numberDiff line numberDiff line change
@@ -11,7 +11,7 @@ lattice hex 1.0 origin 0.25 0.25 0.0
1111

1212
atom_style atomic
1313

14-
region box block 0 ${len} 0 ${len} 0.0 ${lenz}
14+
region box block 0 ${len} 0 ${len} -5 5
1515
region atoms block 0 ${len} 0 ${len} 0.0 0.0
1616
create_box 1 box
1717
create_atoms 1 region atoms

0 commit comments

Comments
 (0)